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1nhx

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==Overview==
==Overview==
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The analysis of the X-ray structures of two xanthine inhibitors bound to, PEPCK and a comparison to the X-ray structure of GTP bound to PEPCK are, reported. The SAR at N-1, N-7 and developing SAR at C-8 are consistent, with information gained from the X-ray structures of compounds 1 and 2, bound to PEPCK. Representative N-3 modifications of compound 2 that led to, the discovery of 3-cyclopropylmethyl and its carboxy analogue as optimal, N-3 groups are presented.
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The analysis of the X-ray structures of two xanthine inhibitors bound to PEPCK and a comparison to the X-ray structure of GTP bound to PEPCK are reported. The SAR at N-1, N-7 and developing SAR at C-8 are consistent with information gained from the X-ray structures of compounds 1 and 2 bound to PEPCK. Representative N-3 modifications of compound 2 that led to the discovery of 3-cyclopropylmethyl and its carboxy analogue as optimal N-3 groups are presented.
==Disease==
==Disease==
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[[Category: Single protein]]
[[Category: Single protein]]
[[Category: Dunten, P.]]
[[Category: Dunten, P.]]
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[[Category: Foley, L.H.]]
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[[Category: Foley, L H.]]
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[[Category: Gubler, M.L.]]
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[[Category: Gubler, M L.]]
[[Category: Ramsey, G.]]
[[Category: Ramsey, G.]]
[[Category: Wang, P.]]
[[Category: Wang, P.]]
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[[Category: Wertheimer, S.J.]]
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[[Category: Wertheimer, S J.]]
[[Category: EDO]]
[[Category: EDO]]
[[Category: FTB]]
[[Category: FTB]]
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[[Category: xanthine]]
[[Category: xanthine]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri Feb 15 16:29:05 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 14:06:22 2008''

Revision as of 12:06, 21 February 2008


1nhx, resolution 2.10Å

Drag the structure with the mouse to rotate

PEPCK COMPLEX WITH A GTP-COMPETITIVE INHIBITOR

Contents

Overview

The analysis of the X-ray structures of two xanthine inhibitors bound to PEPCK and a comparison to the X-ray structure of GTP bound to PEPCK are reported. The SAR at N-1, N-7 and developing SAR at C-8 are consistent with information gained from the X-ray structures of compounds 1 and 2 bound to PEPCK. Representative N-3 modifications of compound 2 that led to the discovery of 3-cyclopropylmethyl and its carboxy analogue as optimal N-3 groups are presented.

Disease

Known disease associated with this structure: Hypoglycemia due to PCK1 deficiency (1) OMIM:[261680]

About this Structure

1NHX is a Single protein structure of sequence from Homo sapiens with , , , and as ligands. Active as Phosphoenolpyruvate carboxykinase (GTP), with EC number 4.1.1.32 Full crystallographic information is available from OCA.

Reference

X-ray structures of two xanthine inhibitors bound to PEPCK and N-3 modifications of substituted 1,8-dibenzylxanthines., Foley LH, Wang P, Dunten P, Ramsey G, Gubler ML, Wertheimer SJ, Bioorg Med Chem Lett. 2003 Nov 3;13(21):3871-4. PMID:14552798

Page seeded by OCA on Thu Feb 21 14:06:22 2008

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